SCHEMBL2807341

SCHEMBL2807341

NC(=O)CCCCCS(=O)(=O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC8 Q9BY41 2/20 0.69
HDAC3 O15379 1/20 0.69
HDAC4 P56524 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
HSD11B1 P28845 5/20 0.54
L3MBTL1 Q9Y468 1/20 0.50
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7773680 1.00 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL11466743 1.00 HDAC1 (0.69) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL7771540 0.98 HDAC1 (0.66) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL2810870 0.93 HDAC1 (0.58) HDAC1HDAC2HDAC8HDAC3HDAC4
Hydrochloric Acid SCHEMBL5124026 0.91 HDAC1 (0.57) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL1007843 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL9754532 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10584726 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL10584107 0.87 HDAC1 (0.71) HDAC1HDAC2HDAC8HDAC3HDAC4
SCHEMBL1161573 0.87 HSD11B1 (0.65) HDAC1HDAC2HDAC8HDAC3HDAC4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150556-B2 Benzimidazolone chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 US disclosed
US-20100240702-A1 Benzimidazolone Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240702-A1 Benzimidazolone Chymase Inhibitors CMA1, SERPINB1, CPA3 HDAC1 305/4885HDAC2 226/4885HDAC8 361/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.